Geometry & MOs

Info

ID:	439527
PubChem CID:	135229303
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	4.47
IP(EA), eV:	-9.24(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(C1)N(C)C(=O)C=C

DOS

IR

Vibrations